1H-Imidazole-2-carboxylicacid,1-methyl-4-nitro-,ethyl ester

• CAS: 109012-23-9
• Catalog Number: ACM109012239
• Category: Other Products
• Molecular Weight: 199.17
• Molecular Formula: C₇H₉N₃O₄
• Synonyms: ethyl 1-methyl-4-nitroimidazole-2-carboxylate, 109012-23-9, ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate, ethyl 4-nitro-1-methylimidazole-2-carboxylate, Ethyl-1-methyl-4-nitroimidazole-2-carboxylate, 1H-Imidazole-2-carboxylicacid, 1-methyl-4-nitro-, ethyl ester, ZINC02511034, PubChem23738, AC1MBZ4Q, ACMC-1BSR3, SureCN1594419, CTK4A6291, MolPort-000-155-301, ACN-P000771, ANW-50541, SBB092420, AKOS006277851, AB16105, AG-D-25730, RP25681
• IUPAC Name: ethyl 1-methyl-4-nitroimidazole-2-carboxylate
• Canonical SMILES: CCOC(=O)C1=NC(=CN1C)[N+](=O)[O-]
• InChI Key: QGTGFMLXIBQONB-UHFFFAOYSA-N
• Boiling Point: 350.7ºC at 760 mmHg
• Flash Point: 165.9ºC
• Density: 1.42g/cm³
• Exact Mass: 199.05900
• H-Bond Acceptor: 5
• H-Bond Donor: 0

Synthetic Use

Upstream Synthesis Route 1

• 30148-21-1

• 109012-23-9
• 109012-22-8
• 1564-49-4

Reference: [1] Journal of Organic Chemistry, 1987, vol. 52, # 16, p. 3493 - 3501

Upstream Synthesis Route 2

• 30148-21-1

• 109012-23-9

Reference: [1] Patent: WO2005/33077, 2005, A1, . Location in patent: Page/Page column 53-54

Upstream Synthesis Route 3

• 865998-46-5
• 74-88-4

• 109012-23-9

Reference: [1] Patent: WO2006/89664, 2006, A2, . Location in patent: Page/Page column 14; 29; 30

Upstream Synthesis Route 4

• 30148-21-1

• 109012-23-9
• 109012-22-8
• 1564-49-4

Reference: [1]Journal of Organic Chemistry,1987,vol. 52,p. 3493 - 3501

Downstream Synthesis Route 1

• 109012-23-9

• 128293-62-9

Reference: [1]Acta Chemica Scandinavica,1990,vol. 44,p. 67 - 74

Downstream Synthesis Route 2

• 109012-23-9

• 109012-24-0

Reference: [1]Journal of Organic Chemistry,1987,vol. 52,p. 3493 - 3501
[2]Patent: EP2530078,2012,A1 .Location in patent: Page/Page column 141

* For details of the synthesis route, please refer to the original source to ensure accuracy.